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Ligand

NameCHEMBL3124968
Molecular formulaC20H35N3O2
IUPAC name[(2S)-6-(oxan-4-yl)-6-azaspiro[2.5]octan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
Molecular weight349.519
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP1.5
Synonyms(4-Isopropylpiperazino)[(S)-6-(tetrahydro-2H-pyran-4-yl)-6-azaspiro[2.5]octane-1beta-yl]methanone
Inchi KeyBNSBTAITEDOQSS-GOSISDBHSA-N
Inchi IDInChI=1S/C20H35N3O2/c1-16(2)21-9-11-23(12-10-21)19(24)18-15-20(18)5-7-22(8-6-20)17-3-13-25-14-4-17/h16-18H,3-15H2,1-2H3/t18-/m1/s1
PubChem CID76314722
ChEMBLCHEMBL3124968
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
283955-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
28388Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
28392D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
28391Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
28394Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
28393Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
28390Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390
28389Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466

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